CID 22352711

N-hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

Structural Information

Molecular Formula
C14H14F17NO2S
SMILES
CCCCCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F17NO2S/c1-2-3-4-5-6-32-35(33,34)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h32H,2-6H2,1H3
InChIKey
UCCYEAVBELUTSI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-hexyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

583.04736 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.05464 186.3
[M+Na]+ 606.03658 190.6
[M-H]- 582.04008 192.9
[M+NH4]+ 601.08118 195.3
[M+K]+ 622.01052 200.3
[M+H-H2O]+ 566.04462 173.5
[M+HCOO]- 628.04556 204.6
[M+CH3COO]- 642.06121 249.7
[M+Na-2H]- 604.02203 183.2
[M]+ 583.04681 185.9
[M]- 583.04791 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe